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  1. Third-Parties
  2. MatprojStructure
  3. mp-1192128

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1192128
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 5
  • Element list: ['Te', 'C', 'S', 'I', 'N']
  • Chemical System: C-I-N-S-Te
  • Density: 2.6009424203841145
  • Atomic Density: 0.03278155836648367
  • Unit Cell Volume: 671.1090349656199
  • Molar Volume: 18.37051397213966
  • Full Formula: Te2 C4 S4 I4 N8
  • Reduced Formula: TeC2S2(IN2)2
  • Formula Anonymous: AB2C2D2E4
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -121.62422383
  • Final energy per atom: -5.5283738104545455
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.